UCSF

ZINC41681562

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 5.31 -3.13 1 3 0 24 274.408 2
Mid Mid (pH 6-8) 2.72 7.03 -36.84 2 3 1 26 275.416 2
Lo Low (pH 4.5-6) 2.72 8.3 -126.97 3 3 2 30 276.424 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )